2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid

C8H9ClN2O3 — CID 83852345

IUPAC2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid
SMILESCCn1c(CC(=O)O)cc(Cl)nc1=O
InChIInChI=1S/C8H9ClN2O3/c1-2-11-5(4-7(12)13)3-6(9)10-8(11)14/h3H,2,4H2,1H3,(H,12,13)
InChIKeyHEGXZNPUJQINBZ-UHFFFAOYSA-N
MW216.62 g/mol
LogP0.54
Rot. Bonds3

About 2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid

2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid (PubChem CID 83852345) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid
PubChem CID83852345
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid
SMILESCCn1c(CC(=O)O)cc(Cl)nc1=O
InChIInChI=1S/C8H9ClN2O3/c1-2-11-5(4-7(12)13)3-6(9)10-8(11)14/h3H,2,4H2,1H3,(H,12,13)
InChIKeyHEGXZNPUJQINBZ-UHFFFAOYSA-N
XLogP0.54
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride
CID 16417864
3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionic acid
CID 6484627
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 6936021
Methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 28940050
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid
CID 60773691
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid
CID 79630141
2-(3-Methyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851811
2-(3-Ethyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851903
2-(3-Cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852012
2-(2-Oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852047
2-(6-Chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852134
2-(3-Cyclobutyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852184

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid (CID 83852345) is 2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid is CCn1c(CC(=O)O)cc(Cl)nc1=O.
What is the InChIKey of 2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid?
The InChIKey is HEGXZNPUJQINBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-2-11-5(4-7(12)13)3-6(9)10-8(11)14/h3H,2,4H2,1H3,(H,12,13).
What are the key properties of 2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid?
2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid has a molecular weight of 216.62 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).